Centered trajectories of NMRlipids II

Collection of molecular dynamics simulation trajectories previously published in the NMRlipids community of Zenodo, and the related input files needed for their analysis. These centered (origin at the lipid bilayer center) trajectories were used in the NMRlipids II project. In addition to trajectories, files containing lipidwise C-H order parameters (for the beta and alpha segments of the PC-lipid headgroup) for each frame are provided. Note that this upload is provided just for the ease of repetition of the analysis by the interested reader of the NMRlipids II publication <em>Molecular electrometer and binding of cations to phospholipid bilayers</em> (http://dx.doi.org/10.1039/c6cp04883h). <strong>If you use any data provided in here for your own work, please cite the corresponding original uploads!</strong>本数据集收录了此前发布于Zenodo平台NMRlipids社区的分子动力学模拟轨迹（molecular dynamics simulation trajectories），以及其分析所需的配套输入文件。这些以脂质双分子层中心为坐标原点的轨迹曾被应用于NMRlipids II项目。除轨迹文件外，本数据集还提供了每帧轨迹中针对每个脂质分子的C-H序参数（对应磷脂酰胆碱（PC）脂质头部基团的β与α段）文件。请注意，本次上传仅为方便《Molecular electrometer and binding of cations to phospholipid bilayers》（DOI: 10.1039/c6cp04883h）一文的感兴趣读者复现其分析流程而提供。<strong>若您将本数据集提供的数据用于自身研究工作，请引用对应的原始上传数据集！</strong>